#!/bin/sh

if [ "${AMBERHOME}_" == "_" ] ; then
   echo 'You need to specify $AMBERHOME'
   exit 1
fi

${AMBERHOME}/bin/simplepbsa -p ../pbsa_tsr/prmtop -c ../pbsa_tsr/tsrb.rst --space=1.0 --accept=0.001 --sprob=1.6 --radiopt=1 --cutnb=9.0 > output.pbsa_tsr
../dacdif output.pbsa_tsr.save output.pbsa_tsr
